pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	AttenGpKa training set	1	0	c1ccc2c(c1)C[NH2+]C2	c1ccc2c(c1)CNC2	mol26353	c1ccc2c(c1)CNC2